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1-(Phenylthio)ethyl butanoate
SpectraBase Compound ID 3ZdrbkW7Ltr
InChI InChI=1S/C12H16O2S/c1-3-7-12(13)14-10(2)15-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
InChIKey IGGNAAWBMGZKLR-UHFFFAOYSA-N
Mol Weight 224.32 g/mol
Molecular Formula C12H16O2S
Exact Mass 224.087101 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID Jt8ORmn6ykz
Name 1-(Phenylthio)ethyl butanoate
Alternate Name(s) 1-(Phenylsulfanyl)ethyl butyrate Butanoic acid 1-(phenylthio)ethyl ester 1-Phenylsulfanylethyl butanoate
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Formula C12H16O2S
InChI InChI=1S/C12H16O2S/c1-3-7-12(13)14-10(2)15-11-8-5-4-6-9-11/h4-6,8-10H,3,7H2,1-2H3
InChIKey IGGNAAWBMGZKLR-UHFFFAOYSA-N
Molecular Weight 224.318 g/mol
SMILES C(OC(Sc1ccccc1)C)(=O)CCC
SPLASH splash10-00di-9200000000-081233a88d2b4913bd7b
Source of Spectrum QA-44-79-3
Wiley ID 862404